[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-25(2)17-10-8-16(9-11-17)23-19(26)13-28-20(27)18-14-29-21(24-18)22-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)(H,23,26)